Metadata-Version: 2.4
Name: alff
Version: 25.12.1.dev4
Summary: ALFF: Active Learning Framework for ML-based Forcefields generation.
Project-URL: Homepage, https://thangckt.github.io/alff_doc
Author-email: "C.Thang Nguyen" <sth@sth.com>
License: MIT License
        
        Copyright (c) 2022 thangckt/alff
        
        Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to deal in the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions:
        
        The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software.
License-File: LICENSE.md
Keywords: ML interatomic potential generator,active learning,graph-based potential,mace,sevennet
Classifier: Intended Audience :: Science/Research
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Classifier: Programming Language :: Python :: 3.13
Classifier: Programming Language :: Python :: 3.14
Classifier: Topic :: Scientific/Engineering :: Physics
Requires-Python: >=3.10
Provides-Extra: all
Requires-Dist: ase; extra == 'all'
Requires-Dist: elastic; extra == 'all'
Requires-Dist: numpy; extra == 'all'
Requires-Dist: phonopy; extra == 'all'
Requires-Dist: polars; extra == 'all'
Requires-Dist: seekpath; extra == 'all'
Requires-Dist: spglib; extra == 'all'
Provides-Extra: bare
Provides-Extra: elastic
Requires-Dist: elastic; extra == 'elastic'
Requires-Dist: spglib; extra == 'elastic'
Provides-Extra: md
Requires-Dist: asap3; extra == 'md'
Requires-Dist: pykim; extra == 'md'
Provides-Extra: phonon
Requires-Dist: phonopy>2.29.0; extra == 'phonon'
Requires-Dist: seekpath; extra == 'phonon'
Requires-Dist: spglib; extra == 'phonon'
Provides-Extra: sevenn
Requires-Dist: torch; extra == 'sevenn'
Requires-Dist: torch-geometric; extra == 'sevenn'
Provides-Extra: test
Requires-Dist: ase; extra == 'test'
Requires-Dist: natsort; extra == 'test'
Requires-Dist: numpy; extra == 'test'
Requires-Dist: polars; extra == 'test'
Requires-Dist: pyfiglet; extra == 'test'
Requires-Dist: pytest; extra == 'test'
Requires-Dist: pytest-cov; extra == 'test'
Requires-Dist: thkit; extra == 'test'
Description-Content-Type: text/markdown

# alff
